Role of defects on the catalytic property of 2D black arsenic for hydrogen evolution reaction

Role of defects on the catalytic property of 2D black arsenic for hydrogen evolution reaction

Water electrolysis via hydrogen evolution reaction (HER) is a promising approach in the production of hydrogen. In spite of its unique physical and chemical properties, there are few reports about black arsenic (b-As) as a catalyst for HER. Our first-principles calculations show that doping could pl...

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Veröffentlicht in:Applied physics express 2019-07, Vol.12 (7), p.75502
Hauptverfasser: Shen, Shiyu, Gan, Yu, Xue, Xiong-xiong, Wei, Jiamou, Tang, Li-ming, Chen, Keqiu, Feng, Yexin
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container_issue 7
container_start_page 75502
container_title Applied physics express
container_volume 12
creator Shen, Shiyu
Gan, Yu
Xue, Xiong-xiong
Wei, Jiamou
Tang, Li-ming
Chen, Keqiu
Feng, Yexin
description Water electrolysis via hydrogen evolution reaction (HER) is a promising approach in the production of hydrogen. In spite of its unique physical and chemical properties, there are few reports about black arsenic (b-As) as a catalyst for HER. Our first-principles calculations show that doping could play an important role in affecting the catalytic properties of b-As. Among different dopants studied, the O atom is most likely to be embedded into the b-As lattice. The embedded OAs atoms or clusters could tune the Fermi level, increase the binding strength of hydrogen to an appropriate level and thus significantly improving catalytic performance for HER.
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title Role of defects on the catalytic property of 2D black arsenic for hydrogen evolution reaction
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